4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine

C21H21ClFN — CID 15648961

IUPAC4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine
SMILESCN1CCC(C2=CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H21ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-7,12-13,15,19H,8-11H2,1H3
InChIKeyMVRLLCOTIWCMOM-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.35
Rot. Bonds2

About 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine

4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine (PubChem CID 15648961) has the molecular formula C21H21ClFN and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine
PubChem CID15648961
Molecular FormulaC21H21ClFN
Molecular Weight341.86 g/mol
Exact Mass341.13
IUPAC Name4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine
SMILESCN1CCC(C2=CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H21ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-7,12-13,15,19H,8-11H2,1H3
InChIKeyMVRLLCOTIWCMOM-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

A 31472
CID 3038603
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
2-Fluoro-7-chloro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (30)
CID 129012330
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl)-8-aza-bicyclo[3.2.1]octane
CID 44335538
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((Z)-styryl)-8-aza-bicyclo[3.2.1]octane
CID 44335604
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10619325
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2-dimethyl-piperazine
CID 10666149

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine (CID 15648961) is 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine is CN1CCC(C2=CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1.
What is the InChIKey of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine?
The InChIKey is MVRLLCOTIWCMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-7,12-13,15,19H,8-11H2,1H3.
What are the key properties of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine?
4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine has a molecular weight of 341.86 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methylpiperidine is sourced from PubChem (CID 15648961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).